SCHEMBL6087176

SCHEMBL6087176

CCC1(O)CCC(C)(C)c2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
RXRA P19793 10/20 0.36
RXRB P28702 9/20 0.36
RXRG P48443 7/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
RARB P10826 6/20 0.36
RARG P13631 6/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP26A1 O43174 5/20 0.35
CYP26B1 Q9NR63 3/20 0.35
AKR1B1 P15121 1/20 0.35
RARA P10276 4/20 0.34
CYP3A4 P08684 2/20 0.33
CRABP2 P29373 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6086519 0.94 MAP3K14 (0.39) MAP3K14RXRARXRBRXRGTP53
SCHEMBL6294018 0.82 AKR1B1 (0.51) RXRARXRBRXRGRARBRARG
SCHEMBL29945228 0.80 RXRA (0.44) RXRARXRBRXRGCYP1A2RARB
SCHEMBL1140723 0.80 RXRA (0.44) RXRARXRBRXRGCYP1A2RARB
SCHEMBL6292622 0.80 RARB (0.40) RXRARXRBRXRGRARBRARG
SCHEMBL6086642 0.80 RXRA (0.39) RXRARXRBRXRGTP53CYP1A2
SCHEMBL8771721 0.77 RXRA (0.60) RXRARXRBRXRGCYP1A2RARB
SCHEMBL1613379 0.77 KDM1A (0.46) MAP3K14GAAL3MBTL1AKR1B1
SCHEMBL12714261 0.77 KDM1A (0.46) MAP3K14GAAL3MBTL1AKR1B1
SCHEMBL6087329 0.76 RXRA (0.39) RXRARXRBRXRGTP53CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026487-B2 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, a pyridyl group and an alkyl group, having retinoid-like biological activity ALLERGAN, INC. (US) 2006-04-11 US disclosed
US-20040097733-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity BEARD RICHARD L (US) 2004-05-20 US disclosed
US-20030166932-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity ALLERGAN SALES, INC. 2003-09-04 US disclosed
US-6613917-B1 Retinoid agonist, antagonist or negative hormone-like biological activity ALLERGAN, INC. 2003-09-02 US disclosed
EP-1265848-A2 AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-12-18 EP disclosed
WO-2001070668-A2 AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2001-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030166932-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity NR4A1, NR2E3, NR0B1 MAP3K14 4054/4885RXRA 13/4885RXRB 12/4885
US-20040097733-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity NR4A1, NR2E3, NR0B1 MAP3K14 4054/4885RXRA 13/4885RXRB 12/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.